8UHV
X-ray crystal structure of Toxoplasma gondii Apo GalNAc-T3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-10-28 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 60.238, 67.281, 164.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.630 - 2.900 |
R-factor | 0.1829 |
Rwork | 0.180 |
R-free | 0.23690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.536 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.198 | 1.204 |
Rmeas | 0.213 | |
Rpim | 0.077 | 0.482 |
Number of reflections | 15357 | 726 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7 |
CC(1/2) | 0.991 | 0.554 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.1 M CHES pH 9.5 and 14-20% PEG 8000 (w/v) |